1SUI
Alfalfa caffeoyl coenzyme A 3-O-methyltransferase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97966, 0.97927, 0.97549 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.854, 136.486, 332.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.700 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.28500 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.780 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 34905 | |
| <I/σ(I)> | 22.3 | 1 |
| Completeness [%] | 85.7 | 49.5 |
| Redundancy | 2.34 | 1.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 288 | PEG 8000, TAPS, calcium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K, pH 8.50 |
